[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol

C14H22O4 — CID 61035977

IUPAC[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
SMILESCCCCOCCOc1ccc(CO)cc1OC
InChIInChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-13-6-5-12(11-15)10-14(13)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyXPVGEAPWWJSPLL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.38
Rot. Bonds9

About [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol

[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol (PubChem CID 61035977) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
PubChem CID61035977
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
SMILESCCCCOCCOc1ccc(CO)cc1OC
InChIInChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-13-6-5-12(11-15)10-14(13)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyXPVGEAPWWJSPLL-UHFFFAOYSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
2-[4-[(3-butoxypropylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17207962
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
(4-butoxy-3-methoxyphenyl)methylazanium
CID 7139463
[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
CID 115659185
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
(4-butoxy-3-methoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 2217236

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol (CID 61035977) is [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol is CCCCOCCOc1ccc(CO)cc1OC.
What is the InChIKey of [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol?
The InChIKey is XPVGEAPWWJSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-13-6-5-12(11-15)10-14(13)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol?
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 61035977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).